| SpectraBase Compound ID | HChVgk7B8qv |
|---|---|
| InChI | InChI=1S/C32H52O5/c1-18-10-13-28(6)16-17-31(9)30(8)15-11-21-27(4,5)22(35-20(3)33)12-14-29(21,7)25(30)23(37-34)26-32(31,36-26)24(28)19(18)2/h18-19,21-26,34H,10-17H2,1-9H3/t18-,19+,21?,22+,23+,24?,25?,26-,28-,29+,30-,31+,32-/m1/s1 |
| InChIKey | MTHXIZRKFSBBNW-DKZYPFMTSA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C32H52O5 |
| Exact Mass | 516.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VBMwcSpyWQ |
|---|---|
| Name | 3-BETA-ACETOXY-12-BETA,13-BETA-EPOXY-11-ALPHA-HYDROPEROXY-URSANE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O5 |
| InChI | InChI=1S/C32H52O5/c1-18-10-13-28(6)16-17-31(9)30(8)15-11-21-27(4,5)22(35-20(3)33)12-14-29(21,7)25(30)23(37-34)26-32(31,36-26)24(28)19(18)2/h18-19,21-26,34H,10-17H2,1-9H3/t18-,19+,21?,22+,23+,24?,25?,26-,28-,29+,30-,31+,32-/m1/s1 |
| InChIKey | MTHXIZRKFSBBNW-DKZYPFMTSA-N |
| Literature Reference Author | Y.M.CHIANG,Y.H.KUO |
| Literature Reference Citation | J.NAT.PROD.,64,436(2001) |
| Literature Reference DOI | 10.1021/np0004808 |
| Molecular Weight | 516.762 g/mol |
| Solvent | CDCl3 |